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CAS Number: 101066-87-9
4-iodo-2-(trifluoromethyl)benzonitrile

Structure

4-iodo-2-(trifluoromethyl)benzonitrile
Name: 4-iodo-2-(trifluoromethyl)benzonitrile
Synonyms:
General Information
Product Number: 101066879
CAS Registry Number:
101066-87-9
Name:
Benzonitrile, 4-​iodo-​2-​(trifluoromethyl)​-
4-​Cyano-​3-​trifluoromethyl-​1-​iodobenzene; 4-​Iodo-​2-​(trifluoromethyl)​benzonitrile 
 
Chemical Formula: C8H3F3IN
Exact Mass: 296.93
Molecular Weight: 297.02
m/z: 296.93 (100.0%), 297.93 (8.7%)
Elemental Analysis: C, 32.35; H, 1.02; F, 19.19; I, 42.73; N, 4.72
 
InChI: InChI=1S/C8H3F3IN/c9-8(10,11)7-3-6(12)2-1-5(7)4-13/h1-3H
InChIKey: RBRTXKYFMXVIER-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1I)C(F)(F)F)C#N
 

Specification

98%

References

PCT Int. Appl. (2013), WO 2013084138 A1 20130613.

PCT Int. Appl. (2011), WO 2011051540 A1 20110505

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